BDBM50259460 (rac)-(1RS,5SR)-3-(2-Hydroxy-acetyl)-7-{4-[3-(2,3,6-trifluoro-phenoxy)-propyl]-phenyl}-3,9-diaza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid(2-chloro-benzyl)-cyclopropyl-amide::CHEMBL452191

SMILES: OCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2F)cc1

InChI Key: InChIKey=RPCKRDIEHAAFNR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50259460   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50259460 ((rac)-(1RS,5SR)-3-(2-Hydroxy-acetyl)-7-{4-[3-(2,3,...) Show SMILES OCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2F)cc1 |c:8,TLB:27:8:12:4.11.5,2:4:12:9.8.7,THB:13:9:12:4.11.5,(15.7,-13.24,;15.63,-11.7,;14.27,-10.99,;14.21,-9.45,;12.97,-11.81,;12.43,-13.28,;10.71,-12.94,;11,-11.36,;10.6,-10.61,;9.33,-10.6,;10.05,-12.1,;11.86,-12.44,;9.52,-13.57,;7.79,-10.54,;7.07,-9.18,;6.97,-11.85,;5.43,-11.79,;4.62,-13.1,;5.35,-14.44,;4.54,-15.75,;2.99,-15.7,;2.27,-14.34,;3.08,-13.03,;2.31,-11.7,;7.7,-13.21,;7.64,-14.74,;9.01,-14.02,;11.29,-9.84,;12.82,-9.84,;13.59,-8.5,;12.82,-7.17,;13.58,-5.83,;15.12,-5.83,;15.88,-4.49,;17.42,-4.48,;18.19,-3.14,;19.74,-3.15,;20.51,-4.48,;20.5,-1.81,;19.72,-.49,;18.18,-.51,;17.41,.83,;17.42,-1.83,;15.88,-1.83,;11.27,-7.18,;10.51,-8.52,)| Show InChI InChI=1S/C35H35ClF3N3O4/c36-27-6-2-1-5-23(27)17-42(25-11-12-25)35(45)32-26(16-24-18-41(31(44)20-43)19-30(32)40-24)22-9-7-21(8-10-22)4-3-15-46-34-29(38)14-13-28(37)33(34)39/h1-2,5-10,13-14,24-25,30,40,43H,3-4,11-12,15-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in human plasma assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50259460 ((rac)-(1RS,5SR)-3-(2-Hydroxy-acetyl)-7-{4-[3-(2,3,...) Show SMILES OCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1Cl)C1CC1)c1ccc(CCCOc2c(F)ccc(F)c2F)cc1 |c:8,TLB:27:8:12:4.11.5,2:4:12:9.8.7,THB:13:9:12:4.11.5,(15.7,-13.24,;15.63,-11.7,;14.27,-10.99,;14.21,-9.45,;12.97,-11.81,;12.43,-13.28,;10.71,-12.94,;11,-11.36,;10.6,-10.61,;9.33,-10.6,;10.05,-12.1,;11.86,-12.44,;9.52,-13.57,;7.79,-10.54,;7.07,-9.18,;6.97,-11.85,;5.43,-11.79,;4.62,-13.1,;5.35,-14.44,;4.54,-15.75,;2.99,-15.7,;2.27,-14.34,;3.08,-13.03,;2.31,-11.7,;7.7,-13.21,;7.64,-14.74,;9.01,-14.02,;11.29,-9.84,;12.82,-9.84,;13.59,-8.5,;12.82,-7.17,;13.58,-5.83,;15.12,-5.83,;15.88,-4.49,;17.42,-4.48,;18.19,-3.14,;19.74,-3.15,;20.51,-4.48,;20.5,-1.81,;19.72,-.49,;18.18,-.51,;17.41,.83,;17.42,-1.83,;15.88,-1.83,;11.27,-7.18,;10.51,-8.52,)| Show InChI InChI=1S/C35H35ClF3N3O4/c36-27-6-2-1-5-23(27)17-42(25-11-12-25)35(45)32-26(16-24-18-41(31(44)20-43)19-30(32)40-24)22-9-7-21(8-10-22)4-3-15-46-34-29(38)14-13-28(37)33(34)39/h1-2,5-10,13-14,24-25,30,40,43H,3-4,11-12,15-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant rennin in buffer assessed as accumulation of angiotensin 1 using human tetradecapeptide by immunoassay				J Med Chem 52: 3689-702 (2009) Article DOI: 10.1021/jm900022f BindingDB Entry DOI: 10.7270/Q2PC3391
					More data for this Ligand-Target Pair